1-[3-(aminomethyl)-4-ethoxyphenyl]-4,4-dimethylpiperidine-2,6-dione

C16H22N2O3 — CID 63763210

IUPAC1-[3-(aminomethyl)-4-ethoxyphenyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCCOc1ccc(N2C(=O)CC(C)(C)CC2=O)cc1CN
InChIInChI=1S/C16H22N2O3/c1-4-21-13-6-5-12(7-11(13)10-17)18-14(19)8-16(2,3)9-15(18)20/h5-7H,4,8-10,17H2,1-3H3
InChIKeyGQQLVLWQZCMUGF-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.22
Rot. Bonds4

About 1-[3-(aminomethyl)-4-ethoxyphenyl]-4,4-dimethylpiperidine-2,6-dione

1-[3-(aminomethyl)-4-ethoxyphenyl]-4,4-dimethylpiperidine-2,6-dione (PubChem CID 63763210) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-4-ethoxyphenyl]-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[3-(aminomethyl)-4-ethoxyphenyl]-4,4-dimethylpiperidine-2,6-dione
PubChem CID63763210
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[3-(aminomethyl)-4-ethoxyphenyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCCOc1ccc(N2C(=O)CC(C)(C)CC2=O)cc1CN
InChIInChI=1S/C16H22N2O3/c1-4-21-13-6-5-12(7-11(13)10-17)18-14(19)8-16(2,3)9-15(18)20/h5-7H,4,8-10,17H2,1-3H3
InChIKeyGQQLVLWQZCMUGF-UHFFFAOYSA-N
XLogP2.22
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-4-ethoxyphenyl]-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-[3-(aminomethyl)-4-ethoxyphenyl]-4,4-dimethylpiperidine-2,6-dione (CID 63763210) is 1-[3-(aminomethyl)-4-ethoxyphenyl]-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-[3-(aminomethyl)-4-ethoxyphenyl]-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-[3-(aminomethyl)-4-ethoxyphenyl]-4,4-dimethylpiperidine-2,6-dione is CCOc1ccc(N2C(=O)CC(C)(C)CC2=O)cc1CN.
What is the InChIKey of 1-[3-(aminomethyl)-4-ethoxyphenyl]-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is GQQLVLWQZCMUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-21-13-6-5-12(7-11(13)10-17)18-14(19)8-16(2,3)9-15(18)20/h5-7H,4,8-10,17H2,1-3H3.
What are the key properties of 1-[3-(aminomethyl)-4-ethoxyphenyl]-4,4-dimethylpiperidine-2,6-dione?
1-[3-(aminomethyl)-4-ethoxyphenyl]-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 290.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-4-ethoxyphenyl]-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 63763210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).